2,2'-Sulfonyldiethanol solution - CAS 2580-77-0

Catalog:	BB019034
Product Name:	2,2'-Sulfonyldiethanol solution
CAS:	2580-77-0
Synonyms:	2-(2-hydroxyethylsulfonyl)ethanol

Technical Data

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Literatures

Computed Properties

IUPAC Name:	2-(2-hydroxyethylsulfonyl)ethanol
Description:	2,2'-Sulfonyldiethanol solution (CAS# 2580-77-0) is a thiodiglycol metabolite or a urinary metabolite found in rats.
Molecular Weight:	154.18
Molecular Formula:	C4H10O4S
Canonical SMILES:	C(CS(=O)(=O)CCO)O
InChI:	InChI=1S/C4H10O4S/c5-1-3-9(7,8)4-2-6/h5-6H,1-4H2
InChI Key:	QQLILYBIARWEIF-UHFFFAOYSA-N
Boiling Point:	432.3 °C at 760 mmHg
Density:	1.393 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00002907
LogP:	-0.53340

Publication Number	Title	Priority Date
CN-112958114-A	Raney nickel catalyst for hydrogenation of aromatic nitro compound in fixed bed and application thereof	20210209
CN-112778172-A	Novel brilliant blue dye intermediate, reactive brilliant blue dye and preparation method and application thereof	20201231
JP-6915140-B1	Viscous aqueous composition and external preparation for skin	20201007
CN-111900338-A	Preparation method of high-power thick electrode	20200915
CN-111847789-A	Process for treating wastewater generated in production of 4-aminophenyl-beta-hydroxyethyl sulfone sulfate by catalytic hydrogenation	20200728

PMID	Publication Date	Title	Journal
18269787	20080101	Analysis of urinary metabolites of sulfur mustard in two individuals after accidental exposure	Journal of analytical toxicology
16965944	20070101	Analysis of the sulphur mustard metabolites thiodiglycol and thiodiglycol sulphoxide in urine using isotope-dilution gas chromatography-ion trap tandem mass spectrometry	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
18428954	20060101	Nucleoside phosphoramidites containing cleavable linkers	Current protocols in nucleic acid chemistry

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Related Functional Groups

Alcohols and Derivatives

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[113724-48-4]
(R)-1-(2-Methoxyphenyl)ethanol
[64437-48-5]
(Z)-10-Hexadecenol
[18621-17-5]
1-Benzhydrylazetan-3-ol
[4780-79-4]
1-Naphthalenemethanol
[5272-36-6]
3-(Trimethylsilyl)propargyl alcohol

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[60-23-1]
Cysteamine
[162515-68-6]
1-(Mercaptomethyl)cyclopropaneacetic Acid
[1011349-32-8]
6-Amino-1-isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

GHS Hazard Statement:	H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement:	P261, P285, P304+P341, P342+P311, and P501
Signal Word:	Danger

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.02997997
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	154.02997997
Rotatable Bond Count:	4
Topological Polar Surface Area:	83 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.8